orbital_charges     :real:2:4,6
  0.692145534488656E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.174045518651433E+001  0.156215210982446E+001
  0.199999999651128E+001  0.131945303811826E+001  0.173569887748097E+001
  0.179877421019196E+001  0.118760553213991E+001  0.186709819496233E+001
  0.708174282251237E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.694221518758309E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.694221518758309E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
  0.512642240804717E-005 -0.375031022239146E-004 -0.569206140554890E-017
  0.230745626616777E-003 -0.144774105043100E-004  0.441270284201600E-016
  0.138452052622640E-005  0.224642391243035E-003  0.485739513932451E-016
  0.243410630464763E-003 -0.684010341054364E-004 -0.386162320653236E-016
 -0.240333600007935E-003 -0.521304222046298E-004  0.123318490966196E-003
 -0.240333600007803E-003 -0.521304222047270E-004 -0.123318490966251E-003
mermin_energy       :real:0:
 -0.816321806764403E+001
end_coords          :real:2:3,6
 -0.944362216902488E+000 -0.121490483805739E-001  0.000000000000000E+000
 -0.277231684236674E+001 -0.278628758660031E+000  0.000000000000000E+000
  0.263153225621761E+001  0.253125016718170E+000  0.000000000000000E+000
 -0.354685316412762E+001  0.137925997646206E+001  0.000000000000000E+000
  0.328270915517005E+001 -0.614444405186437E+000 -0.147306597453512E+001
  0.328270915517005E+001 -0.614444405186437E+000  0.147306597453512E+001
